1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone

C14H15NOS — CID 82428234

IUPAC1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(-c2ccccc2C)sc1C(C)=O
InChIInChI=1S/C14H15NOS/c1-4-12-13(10(3)16)17-14(15-12)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3
InChIKeyRVNXIZWRTHJQOI-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.88
Rot. Bonds3

About 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone

1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82428234) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82428234
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(-c2ccccc2C)sc1C(C)=O
InChIInChI=1S/C14H15NOS/c1-4-12-13(10(3)16)17-14(15-12)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3
InChIKeyRVNXIZWRTHJQOI-UHFFFAOYSA-N
XLogP3.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone (CID 82428234) is 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone is CCc1nc(-c2ccccc2C)sc1C(C)=O.
What is the InChIKey of 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is RVNXIZWRTHJQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-4-12-13(10(3)16)17-14(15-12)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone?
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 245.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82428234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).